UCSF

ZINC43457851

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 4.65 -41.55 3 2 1 37 234.241 5
Hi High (pH 8-9.5) 2.19 4.34 -4.82 2 2 0 35 233.233 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )